Information card for entry 1518915

Structure parameters

• Formula: C42 H36 Cl4 Cr Mo2 N12
• Title of publication: Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory
• Authors of publication: David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 241 - 247
• a: 18.9002 ± 0.0006 Å
• b: 16.1307 ± 0.0005 Å
• c: 15.9245 ± 0.0005 Å
• α: 90°
• β: 112.965 ± 0.002°
• γ: 90°
• Cell volume: 4470.2 ± 0.3 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0574
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No